1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane

C8H16N2O7 — CID 10901111

IUPAC1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane
SMILESO=[N+]([O-])CCOCCOCCOCC[N+](=O)[O-]
InChIInChI=1S/C8H16N2O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2
InChIKeyZYZZHFWJVWGQCI-UHFFFAOYSA-N
MW252.22 g/mol
LogP-0.41
Rot. Bonds12

About 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane

1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane (PubChem CID 10901111) has the molecular formula C8H16N2O7 and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane
PubChem CID10901111
Molecular FormulaC8H16N2O7
Molecular Weight252.22 g/mol
Exact Mass252.10
IUPAC Name1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane
SMILESO=[N+]([O-])CCOCCOCCOCC[N+](=O)[O-]
InChIInChI=1S/C8H16N2O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2
InChIKeyZYZZHFWJVWGQCI-UHFFFAOYSA-N
XLogP-0.41
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane?
The IUPAC name of 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane (CID 10901111) is 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane?
The canonical SMILES for 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane is O=[N+]([O-])CCOCCOCCOCC[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane?
The InChIKey is ZYZZHFWJVWGQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2.
What are the key properties of 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane?
1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane has a molecular weight of 252.22 g/mol, XLogP of -0.41, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[2-[2-(2-nitroethoxy)ethoxy]ethoxy]ethane is sourced from PubChem (CID 10901111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).